2-fluoranyl-6-[4-[1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(1-besylnipecotoyl)piperazino]-6-fluoro-benzonitrile Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C23H25FN4O3S/c24-21-9-4-10-22(20(21)16-25)26-12-14-27(15-13-26)23(29)18-6-5-11-28(17-18)32(30,31)19-7-2-1-3-8-19/h1-4,7-10,18H,5-6,11-15,17H2